ChemDB: Chemical Search
Download
Chemical ID: 7143311
Chemical ID:
7143311
Name [?]:
5-[(4-allyloxyphenyl)methylene]-2-(2,4-dimethoxyphenyl)amino-thiazol-4-one
SMILES [?]:
COc1ccc(c(c1)OC)NC2=NC(=O)C(=Cc3ccc(cc3)OCC=C)S2
InChi [?]:
InChI=1/C21H20N2O4S/c1-4-11-27-15-7-5-14(6-8-15)12-19-20(24)23-21(28-19)22-17-10-9-16(25-2)13-18(17)26-3/h4-10,12-13H,1,11H2,2-3H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:27,1,10,26,19,23,20,22,4,5,25,17,8,18,21,3,6,7,16,14,12,11,13,15,2,9,24,28/E:(5,6)(7,8)/rA:28nCOCCCCCCOCNCNCOCCCCCCCCOCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;d26;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20N2O4S |
All Atoms: | 48 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.6523 |
Area: | 634.266 |
Solvation: | -5.20434 |
Coulombic: | -53.0573 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.71 |
LogP (Chemaxon): | None |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|